(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine

C21H25FN2O — CID 58393518

IUPAC(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESN[C@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN2O/c22-16-8-10-18(11-9-16)25-21-19-6-2-1-4-15(19)7-12-20(21)24-13-3-5-17(23)14-24/h1-2,4,6,8-11,17,20-21H,3,5,7,12-14,23H2/t17-,20-,21-/m0/s1
InChIKeyNJTCOKFDKKKCIT-YYWHXJBOSA-N
MW340.44 g/mol
LogP3.68
Rot. Bonds3

About (3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine

(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (PubChem CID 58393518) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
PubChem CID58393518
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
SMILESN[C@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2ccc(F)cc2)C1
InChIInChI=1S/C21H25FN2O/c22-16-8-10-18(11-9-16)25-21-19-6-2-1-4-15(19)7-12-20(21)24-13-3-5-17(23)14-24/h1-2,4,6,8-11,17,20-21H,3,5,7,12-14,23H2/t17-,20-,21-/m0/s1
InChIKeyNJTCOKFDKKKCIT-YYWHXJBOSA-N
XLogP3.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine (CID 58393518) is (3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is N[C@H]1CCCN([C@H]2CCc3ccccc3[C@@H]2Oc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
The InChIKey is NJTCOKFDKKKCIT-YYWHXJBOSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-16-8-10-18(11-9-16)25-21-19-6-2-1-4-15(19)7-12-20(21)24-13-3-5-17(23)14-24/h1-2,4,6,8-11,17,20-21H,3,5,7,12-14,23H2/t17-,20-,21-/m0/s1.
What are the key properties of (3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine?
(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine has a molecular weight of 340.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine is sourced from PubChem (CID 58393518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).